9,9-dimethyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

C49H37N — CID 139355272

IUPAC9,9-dimethyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc(-c5ccccc5)cc5ccccc45)cc3)cc21
InChIInChI=1S/C49H37N/c1-49(2)47-20-12-11-19-44(47)45-30-29-42(33-48(45)49)50(40-25-21-36(22-26-40)34-13-5-3-6-14-34)41-27-23-37(24-28-41)46-32-39(35-15-7-4-8-16-35)31-38-17-9-10-18-43(38)46/h3-33H,1-2H3
InChIKeyZZLGBMWRKBMDFN-UHFFFAOYSA-N
MW639.84 g/mol
LogP13.62
Rot. Bonds6

About 9,9-dimethyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

9,9-dimethyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 139355272) has the molecular formula C49H37N and a molecular weight of 639.84 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID139355272
Molecular FormulaC49H37N
Molecular Weight639.84 g/mol
Exact Mass639.29
IUPAC Name9,9-dimethyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc(-c5ccccc5)cc5ccccc45)cc3)cc21
InChIInChI=1S/C49H37N/c1-49(2)47-20-12-11-19-44(47)45-30-29-42(33-48(45)49)50(40-25-21-36(22-26-40)34-13-5-3-6-14-34)41-27-23-37(24-28-41)46-32-39(35-15-7-4-8-16-35)31-38-17-9-10-18-43(38)46/h3-33H,1-2H3
InChIKeyZZLGBMWRKBMDFN-UHFFFAOYSA-N
XLogP13.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.84
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155303624
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]fluoren-3-amine
CID 139355267
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine
CID 118175587
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 163612523
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine
CID 166956448
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine
CID 138623042
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58050517
N-[4-[2,5-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 176611444
N-(4-benzo[c]phenanthren-6-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167184350
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline;N-(4-naphthalen-2-ylphenyl)-N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline;N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 158189817
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N-phenylfluoren-2-amine
CID 118500370
9,9-dimethyl-N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 166566462

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 139355272) is 9,9-dimethyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc(-c5ccccc5)cc5ccccc45)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is ZZLGBMWRKBMDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N/c1-49(2)47-20-12-11-19-44(47)45-30-29-42(33-48(45)49)50(40-25-21-36(22-26-40)34-13-5-3-6-14-34)41-27-23-37(24-28-41)46-32-39(35-15-7-4-8-16-35)31-38-17-9-10-18-43(38)46/h3-33H,1-2H3.
What are the key properties of 9,9-dimethyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
9,9-dimethyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 639.84 g/mol, XLogP of 13.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 139355272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).